SCHEMBL6791822

SCHEMBL6791822

COC(=O)C1(c2ccc([N+](=O)[O-])cc2)C=C(C)N=C(SCc2ccc(OC)cc2)N1N(C=O)CCCN1CCC(C#N)(c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 17/20 0.40
ADRA1D P25100 15/20 0.40
ADRA1B P35368 13/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ADRA2A P08913 4/20 0.38
ADRA2B P18089 4/20 0.38
ADRA2C P18825 4/20 0.38
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7975022 0.92 ADRA1A (0.46) ADRA1AADRA1DADRA1BSMN1; SMN2ALDH1A1
SCHEMBL6406286 0.83 ADRA1A (0.47) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6786204 0.80 ADRA1A (0.50) ADRA1AADRA1DADRA1BSMN1; SMN2MAPT
SCHEMBL8659585 0.76 ADRA1A (0.48) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6782745 0.75 ADRA1A (0.52) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6793160 0.74 ADRA1A (0.52) ADRA1AADRA1DADRA1BSMN1; SMN2MAPT
SCHEMBL6785064 0.70 ADRA1A (0.54) ADRA1AADRA1DADRA1BSMN1; SMN2MAPT
SCHEMBL6786820 0.69 ADRA1D (0.46) ADRA1AADRA1DADRA1BSMN1; SMN2ALDH1A1
SCHEMBL7975023 0.69 ADRA1A (0.42) ADRA1AADRA1DADRA1BSMN1; SMN2MAPT
SCHEMBL6785748 0.68 ADRA1A (0.44) ADRA1AADRA1DADRA1BADRA2AADRA2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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