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Sugi Predict / Compounds / SCHEMBL6243274

SCHEMBL6243274

SCHEMBL6243274

COC(=O)C1=C(C)N=C(SCc2ccc(OC)cc2)NC1N(C(=O)CCCN1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 8/20 0.47
▸ ADRA1A P35348 8/20 0.47
▸ ADRA1B P35368 8/20 0.47
▸ ADRA2A P08913 6/20 0.47
▸ ADRA2B P18089 6/20 0.47
▸ ADRA2C P18825 6/20 0.47
▸ OPRM1 P35372 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SIGMAR1 Q99720 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6275329 0.96 OPRM1 (0.43) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6793162 0.89 ADRA1A (0.49) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6786593 0.79 ADRA1A (0.58) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL7559427 0.77 ADRA1D (0.47) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6786820 0.77 ADRA1D (0.46) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6201423 0.74 MAPT (0.48) SMN1; SMN2MAPTALDH1A1GAAHPGD
SCHEMBL6782749 0.72 ADRA1A (0.48) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL8341186 0.71 LMNA (0.38) ADRA1AADRA2AOPRM1SMN1; SMN2MAPT
SCHEMBL7975023 0.70 ADRA1A (0.42) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL6199790 0.70 ALDH1A1 (0.47) SMN1; SMN2MAPTALDH1A1GAAHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 — — EP disclosed
US-6727257-B1 HYPOTENSIVE AGENTS FOR INTRAOCULAR PRESSURE; ANTICHOLESTEROL AGENTS; RELAXING URINARY TRACT TISSUE; BENIGN PROSTATIC HYPERPLASIA, IMPOTENCY, AND CARDIOVASCULAR DISORDERS; ANTIARRHYTHMIA AGENTS SYNAPTIC PHARMACEUTICAL CORPORATION 2004-04-27 — — US disclosed
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 — — US disclosed
US-6248747-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA WITH ANTAGONISTS SELECTIVE FOR CLONED HUMAN ALPHA-1C RECEPTORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-19 — — US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 — — US disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 — — EP disclosed
US-5942517-A ANTAGONIST OF ALPHA(1C) RECEPTORS; TREATMENT OF BENIGN PROSTATIC HYPERPLASIA SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1999-08-24 — — US disclosed
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 — — EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 — — WO disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 — — EP disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 — — WO disclosed