SCHEMBL7841889

SCHEMBL7841889

COc1ccc(CCN2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.65
HRH3 Q9Y5N1 1/20 0.61
OPRM1 P35372 3/20 0.58
GAA P10253 1/20 0.57
LTA4H P09960 1/20 0.56
CACNA1G O43497 1/20 0.55
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.55
HTR2C P28335 1/20 0.55
HTR7 P34969 1/20 0.55
HTR2B P41595 1/20 0.55
KCNJ1 P48048 1/20 0.54
KCNH2 Q12809 1/20 0.54

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 SCHEMBL1414107 0.99 SIGMAR1 (0.63) SIGMAR1HRH3OPRM1GAALTA4H
Hydrochloric Acid SCHEMBL1414248 0.86 SIGMAR1 (0.61) SIGMAR1HRH3OPRM1CACNA1GHTR1A
SCHEMBL6990156 0.86 S1PR5 (0.67) SIGMAR1HRH3GAA
SCHEMBL1414196 0.84 KDM4E (0.61) SIGMAR1HRH3OPRM1GAALTA4H
SCHEMBL18117071 0.84 KCNH2 (0.59) HRH3OPRM1LTA4HHTR1AHTR2C
Hydrochloric Acid SCHEMBL27696810 0.84 OPRM1 (0.62) SIGMAR1OPRM1
SCHEMBL10340077 0.83 HTR2A (0.76) OPRM1HTR2CHTR7KCNH2
SCHEMBL1735359 0.82 OPRM1 (0.46) SIGMAR1HRH3OPRM1LTA4HCACNA1G
SCHEMBL5147945 0.82 HTR1A (0.45) SIGMAR1HRH3OPRM1LTA4HCACNA1G
Hydrochloric Acid SCHEMBL9649705 0.82 HTR2A (0.74) OPRM1HTR2CHTR7KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626968-B1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL PHARMA INC (US) 2001-09-26 EP disclosed
US-5739150-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1998-04-14 US disclosed
US-5650416-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-07-22 US disclosed
US-5631268-A ANTIALLERGENS, 5HT2 RECEPTOR ANTAGONISTS MERRELL PHARMACEUTICALS INC. (US) 1997-05-20 US disclosed
CN-1147193-A Insecticidal N-(substd. Arylmethyl)-4-[bis(substd. phenyl) methyl] piperidines FMC CORP (US) 1997-04-09 CN disclosed
US-5602147-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-02-11 US disclosed
US-5596003-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-01-21 US disclosed
US-5541200-A Piperidinyl thiacyclic derivatives MERRELL PHARMACEUTICALS INC. (US) 1996-07-30 US disclosed
US-5476861-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEURICALS INC. (US) 1995-12-19 US disclosed
EP-0363963-B1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMA (US) 1995-04-26 EP disclosed
EP-0626968-A4 1995-01-04 EP disclosed
EP-0626968-A1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1994-12-07 EP disclosed
US-5371093-A Piperidinyl thiacyclic derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1994-12-06 US disclosed
WO-1993016081-A1 PIPERIDINYL THIACYCLIC DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed
US-5182399-A Process for preparing piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-26 US disclosed
EP-0363963-A1 Piperidinyl benzimidazoles as antihistamines MERRELL DOW PHARMACEUTICALS INC. (US) 1990-04-18 EP disclosed
US-4908372-A Antihistaminic piperidinyl benzimidazoles MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-13 US disclosed