Sugi Predict

Sugi Predict / Compounds / SCHEMBL7640547

SCHEMBL7640547

SCHEMBL7640547

NC(=O)CCN1CCC(c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.58
▸ SIGMAR1 Q99720 1/20 0.52
▸ OPRM1 P35372 2/20 0.50
▸ PRCP P42785 1/20 0.50
▸ OPRL1 P41146 1/20 0.50
▸ HTR1A P08908 5/20 0.49
▸ HTR2A P28223 4/20 0.49
▸ DRD3 P35462 4/20 0.49
▸ DRD1 P21728 2/20 0.49
▸ DRD5 P21918 1/20 0.49
▸ MCHR1 Q99705 1/20 0.48
▸ PARP10 Q53GL7 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ TLR8 Q9NR97 1/20 0.47
▸ TLR7 Q9NYK1 1/20 0.47
▸ CCR2 P41597 3/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
Hydrochloric Acid SCHEMBL7658850 0.99 DRD2 (0.57) DRD2SIGMAR1OPRM1PRCPOPRL1
Hydrochloric Acid SCHEMBL9811466 0.85 DRD2 (0.61) DRD2SIGMAR1OPRM1PRCPOPRL1
SCHEMBL8012789 0.82 DRD2 (0.60) DRD2SIGMAR1HTR1AHTR2ADRD3
SCHEMBL6371801 0.80 DRD2 (0.59) DRD2SIGMAR1OPRM1PRCPHTR1A
SCHEMBL6994781 0.80 DRD2 (0.53) DRD2SIGMAR1OPRM1PRCPOPRL1
SCHEMBL7963986 0.80 DRD2 (0.62) DRD2OPRM1PRCPHTR1AHTR2A
SCHEMBL3591082 0.80 DRD2 (0.55) DRD2SIGMAR1HTR1AHTR2ADRD3
SCHEMBL8001944 0.79 DRD2 (0.65) DRD2SIGMAR1HTR1AHTR2ADRD3
SCHEMBL8011291 0.79 DRD2 (0.65) DRD2SIGMAR1HTR1AHTR2ADRD3
SCHEMBL9872541 0.79 CYP2D6 (0.53) OPRM1PRCPHTR1AHTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 — — US claimed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 — — US claimed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 — — US claimed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 — — WO claimed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 — — WO claimed
US-6410554-B1 ADRENERGIC ANTAGONIST MERCK & CO., INC. 2002-06-25 — — US disclosed
US-6339090-B1 FOR THERAPY OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-01-15 — — US disclosed
US-6319932-B1 USEFUL FOR TREATING BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-11-20 — — US disclosed
US-6228870-B1 BENIGN PROSTATIC HYPERPLASIA; REDUCTION OF HYPOTENSION SIDE EFFECT MERCK & CO., INC. 2001-05-08 — — US disclosed
WO-2000027827-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 — — WO disclosed
WO-2000027817-A1 OXAZOLIDINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-18 — — WO disclosed
WO-2000025782-A1 DIHYDROPYRIDINONES AND PYRROLINONES USEFUL AS ALPHA 1A ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-05-11 — — WO disclosed
WO-2000006565-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2000-02-10 — — WO disclosed
WO-1999048530-A1 COMBINATION THERAPY FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. (US) 1999-09-30 — — WO disclosed