SCHEMBL8923153

SCHEMBL8923153

CN1CCN(C(=O)Nc2ccc3[nH]cc(C(=O)N4CCN(c5ncccc5NC(C)(C)C)CC4)c3c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.47
TRPA1 O75762 1/20 0.45
KCNH2 Q12809 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL8923783 0.84 GFER (0.42) KCNH2NPSR1HSD17B10
SCHEMBL9038015 0.84 ALDH1A1 (0.47) KCNH2NPSR1HSD17B10
Hydrochloric Acid SCHEMBL9001495 0.83 ALDH1A1 (0.46) KCNH2NPSR1HSD17B10
SCHEMBL9037637 0.83 GFER (0.56) NPSR1
SCHEMBL8985883 0.82 ALDH1A1 (0.50) NPSR1HSD17B10
SCHEMBL9539611 0.82 ADRA2A (0.51) TRPV1KCNH2
Hydrochloric Acid SCHEMBL8985797 0.82 ALDH1A1 (0.49) NPSR1HSD17B10
SCHEMBL8922978 0.81 TNFSF11 (0.57) TRPV1
SCHEMBL9038498 0.79 ADRA2A (0.55) TRPV1KCNH2HSD17B10
SCHEMBL8923192 0.78 ADRA2A (0.52) TRPV1KCNH2NPSR1HSD17B10

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
US-5599930-A Substituted indoles as anti-AIDS pharmaceuticals THE UPJOHN COMPANY (US) 1997-02-04 US claimed