SCHEMBL10969752

SCHEMBL10969752

Oc1ccc(CCCCN2CC=C(c3ccccc3)CC2)c2cc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.60
▸ HTR1A P08908 2/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ DRD2 P14416 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ DRD4 P21917 1/20 0.60
▸ CYP2C19 P33261 1/20 0.60
▸ DRD3 P35462 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ APEX1 P27695 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.52
▸ PARP1 P09874 1/20 0.50

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
SCHEMBL10970744 0.97 TDP1 (0.56) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10973097 0.92 DRD2 (0.53) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10972839 0.88 HTR1A (0.54) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10971824 0.88 HTR1A (0.54) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10970444 0.88 HTR1A (0.54) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10972655 0.86 HTR1A (0.58) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10972026 0.85 PARP1 (0.50) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10972411 0.85 PARP1 (0.50) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10968918 0.85 HTR1A (0.62) TDP1HTR1ACYP1A2CYP3A4MAPT
SCHEMBL10970462 0.83 TDP1 (0.66) TDP1HTR1ACYP1A2CYP3A4MAPT

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
EP-0164633-A2 Indole derivatives MERCK PATENT GmbH (DE) 1985-12-18 — — EP disclosed
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