SCHEMBL11427742

SCHEMBL11427742

c1cc2c3c(c1)c1c(n3CCS2)CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.47
HTR2A P28223 6/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MCL1 Q07820 4/20 0.43
LIPG Q9Y5X9 1/20 0.40
RYR2 Q92736 1/20 0.39
BCL2L1 Q07817 1/20 0.36

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 SCHEMBL5636963 0.99 HTR2C (0.46) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5636305 0.92 HTR2C (0.48) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL6852201 0.90 HTR2C (0.58) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL5636361 0.89 HTR2C (0.56) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL5637761 0.82 HTR2C (0.54) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL6493416 0.79 HTR2C (0.54) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL11430606 0.78 HTR2C (0.53) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5428200 0.77 HTR2C (0.62) HTR2CHTR2AKDM4EMEN1TP53
SCHEMBL5636374 0.77 HTR2C (0.36) HTR2CHTR2AKDM4EMEN1TP53
Hydrochloric Acid SCHEMBL5424435 0.76 HTR2C (0.60) HTR2CHTR2AKDM4EMEN1TP53

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