SCHEMBL4759637

SCHEMBL4759637

CC1(c2ccccc2)CNCCN1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
OPRD1 P41143 2/20 0.36
OPRM1 P35372 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL18284816 0.88 SIGMAR1 (0.39) HTR2AHTR2CHTR2BSIGMAR1OPRD1
SCHEMBL14833467 0.87 SIGMAR1 (0.38) HTR2AHTR2CHTR2BSIGMAR1OPRD1
SCHEMBL15824967 0.84 ALDH1A1 (0.38) ALDH1A1KMT2ASLC6A2SLC6A4
SCHEMBL15520826 0.81 HTR2A (0.38) HTR2AHTR2CHTR2B
SCHEMBL4592731 0.81 SIGMAR1 (0.38) HTR2AHTR2CHTR2BSIGMAR1OPRD1
SCHEMBL14698728 0.79 SIGMAR1 (0.35) HTR2AHTR2CHTR2BSIGMAR1OPRD1
SCHEMBL3721247 0.77 SIGMAR1 (0.39) HTR2AHTR2CSIGMAR1OPRD1OPRM1
SCHEMBL5790959 0.76 SIGMAR1 (0.35) HTR2AHTR2CHTR2BSIGMAR1OPRD1
SCHEMBL4421968 0.75 OPRM1 (0.36) HTR2COPRD1OPRM1KMT2ACYP2D6
SCHEMBL20555946 0.74 DPP4 (0.37) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
EP-2935269-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-10-28 EP disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2014096423-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-06-26 WO disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed