SCHEMBL10991344

SCHEMBL10991344

O=C1CCCC2NCCc3c2n1c1ccc(Cl)cc31

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ CYP1A2 P05177 4/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ TP53 P04637 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ ADRA2A P08913 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ MAOA P21397 1/20 0.45
▸ DRD1 P21728 1/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ TEAD1 P28347 1/20 0.45
▸ SLC6A4 P31645 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ TEAD4 Q15561 1/20 0.45

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
Vincantril SCHEMBL2734148 0.93 HSD17B10 (0.39) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11470919 0.83 HSD17B10 (0.57) HSD17B10MEN1KMT2ACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL11469730 0.81 HSD17B10 (0.60) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10989925 0.78 HSD17B10 (0.60) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11445321 0.78 PER2 (0.41) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10836067 0.75 HSD17B10 (0.50) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11067724 0.70 HTR1A (0.53) HSD17B10KMT2AKDM4EGAAHTR1A
SCHEMBL10491456 0.68 LMNA (0.35) HSD17B10MEN1KMT2ACYP1A2CYP2D6
SCHEMBL9401798 0.67 LMNA (0.40) HSD17B10CYP1A2CYP2D6KDM4ECYP3A4
SCHEMBL4972027 0.66 MAPT (0.46) HSD17B10MEN1KMT2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4425351-A ANTIANOXIC SYNTHELABO (FR) 1984-01-10 — — US claimed
US-4503058-A ANTIANOXIC SYNTHELABO (FR) 1985-03-05 — — US disclosed
US-4425351-A ANTIANOXIC SYNTHELABO (FR) 1984-01-10 — — US disclosed
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