SCHEMBL11436638

SCHEMBL11436638

c1ccc2c(c1)CSCCN2N=C1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.37
HTR2B P41595 3/20 0.33
HTR2A P28223 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
CDK4 P11802 1/20 0.32
ALOX15 P16050 1/20 0.32
CCND1 P24385 1/20 0.32
KMT2A Q03164 1/20 0.32
CXCR4 P61073 2/20 0.31
KDM1A O60341 1/20 0.31
TSHR P16473 1/20 0.31
ADRB1 P08588 2/20 0.31
PNMT P11086 1/20 0.31
CD44 P16070 1/20 0.31
MAOB P27338 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL11431108 0.92 HTR2C (0.35) HTR2CHTR2BHTR2AALDH1A1MEN1
SCHEMBL11436127 0.77 NOTUM (0.40) ALDH1A1MEN1KMT2AKDM1AADRB1
SCHEMBL11436328 0.75 HTR2C (0.37) HTR2CHTR2BHTR2AALDH1A1MEN1
SCHEMBL6501844 0.74 ALDH1A1 (0.37) ALDH1A1MEN1USP2CDK4ALOX15
SCHEMBL11436079 0.73 HTR2C (0.35) HTR2CHTR2BHTR2AALDH1A1MEN1
SCHEMBL11437627 0.72 NOTUM (0.35) HTR2CHTR2BHTR2AALDH1A1MEN1
SCHEMBL11434536 0.69 HTR2A (0.44) HTR2CHTR2AKMT2ATSHRADRB1
SCHEMBL10931076 0.67 HTR2C (0.64) HTR2CHTR2BHTR2ATSHRPNMT
SCHEMBL11436384 0.67 HTR2A (0.42) HTR2CHTR2AKMT2ATSHRADRB1
SCHEMBL11437404 0.66 ALDH1A1 (0.42) ALDH1A1MEN1USP2CDK4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238607-A ANTIBIOTICS, SEDATIVES, HYPOTENSIVE AGENTS, AND ANTIDEPRESSANTS ENDO LABORATORIES INC. (US) 1980-12-09 US disclosed
US-4183936-A SEDATIVES, ANTIDEPRESSANTS, HYPOTENSIVE AGENTS, BACTERICIDES ENDO LABORATORIES, INC. (US) 1980-01-15 US disclosed
US-4115577-A SEDATIVES, ANTIDEPRESSANT ANTIHYPERTENSIVE, ANTIBACTERIAL ENDO LABORATORIES, INC. (US) 1978-09-19 US disclosed
US-4013652-A SEDATIVES ENDO LABORATORIES, INC. (US) 1977-03-22 US disclosed