SCHEMBL7817402

SCHEMBL7817402

C1=Cc2ccccc2C(C2CCNCC2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.43
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.38
HTR1A P08908 3/20 0.38
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
CYP2D6 P10635 1/20 0.37
HRH1 P35367 1/20 0.36
GBA1 P04062 1/20 0.36
ADRB2 P07550 1/20 0.35

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 SCHEMBL10601800 0.98 HTR2C (0.45) HTR2CSLC18A3SIGMAR1HTR2AHTR1A
Phosphoric Acid SCHEMBL10597412 0.90 CYP2D6 (0.38) HTR2CSLC18A3SIGMAR1HTR2AHTR1A
SCHEMBL10600660 0.86 SLC6A2 (0.42) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10903463 0.86 SLC6A2 (0.39) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL10905563 0.86 HTR2C (0.35) HTR2CHTR2AHTR1ASLC6A2SLC6A4
SCHEMBL10598002 0.86 HTR1A (0.42) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10600391 0.86 HTR2C (0.35) HTR2CSLC18A3SIGMAR1HTR2AHTR1A
SCHEMBL10600422 0.86 HTR2C (0.41) HTR2CHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10597137 0.86 HTR2C (0.35) HTR2CSLC18A3SIGMAR1HTR2AHTR1A
Hydrochloric Acid SCHEMBL10970209 0.85 SLC6A2 (0.39) HTR2CHTR1ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733043-B1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORP (US) 2001-06-20 EP disclosed
EP-0157399-B1 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds MERCK & CO. INC. (US) 1989-08-16 EP disclosed
EP-0157399-B1 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds MERCK & CO. INC. (US) 1989-08-16 EP disclosed
US-4758577-A 4-(5H-dibenzo[a,d]cyclohepten-5-yl)piperidine compounds for treating cardiovascular disorders MERCK & CO., INC. (US) 1988-07-19 US disclosed
US-4758577-A 4-(5H-dibenzo[a,d]cyclohepten-5-yl)piperidine compounds for treating cardiovascular disorders MERCK & CO., INC. (US) 1988-07-19 US disclosed
US-4758577-A 4-(5H-dibenzo[a,d]cyclohepten-5-yl)piperidine compounds for treating cardiovascular disorders MERCK & CO., INC. (US) 1988-07-19 US disclosed
US-4626542-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1986-12-02 US disclosed
US-4626542-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1986-12-02 US disclosed
US-4626542-A CARDIOVASCULAR DISORDERS MERCK & CO., INC. (US) 1986-12-02 US disclosed
EP-0157399-A2 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds MERCK & CO. INC. (US) 1985-10-09 EP disclosed
EP-0157399-A2 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds MERCK & CO. INC. (US) 1985-10-09 EP disclosed
EP-0157399-A2 4-(5H-Dibenzo[a,d]cyclohepten-5-yl) piperidine compounds MERCK & CO. INC. (US) 1985-10-09 EP disclosed