SCHEMBL24670969

SCHEMBL24670969

Nc1ccc(C2=CCNCC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.51
SIGMAR1 Q99720 2/20 0.49
HTR6 P50406 4/20 0.46
QDPR P09417 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL24670558 0.81 HTR6 (0.46) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL14320492 0.81 HTR2C (0.46) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL24670167 0.77 GLA (0.54) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL24669394 0.77 QDPR (0.55) HTR2CHTR6QDPRKDM4EALDH1A1
SCHEMBL17395600 0.77 HTR2C (0.42) HTR2CSIGMAR1HTR6QDPRKDM4E
Hydrochloric Acid SCHEMBL30952463 0.76 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL4790197 0.76 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E
Hydrochloric Acid SCHEMBL21359253 0.76 HTR2C (0.61) HTR2CSIGMAR1HTR6QDPRKDM4E
SCHEMBL38657911 0.74 HTR2C (0.44) HTR2CSIGMAR1HTR6QDPR
SCHEMBL23216395 0.73 HTR2C (0.55) HTR2CSIGMAR1HTR6QDPRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed