SCHEMBL7850831

SCHEMBL7850831

CNc1ccc(N2CCC(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.57
▸ SLC6A2 P23975 6/20 0.55
▸ SLC6A4 P31645 6/20 0.55
▸ CARM1 Q86X55 2/20 0.54
▸ PRMT6 Q96LA8 2/20 0.54
▸ SLC6A3 Q01959 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ CCR3 P51677 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ MCL1 Q07820 1/20 0.49
▸ FAAH O00519 1/20 0.49

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
SCHEMBL7241082 0.84 SLC6A2 (0.71) HRH3SLC6A2SLC6A4CARM1PRMT6
SCHEMBL941899 0.80 SLC6A2 (0.79) SLC6A2SLC6A4CARM1PRMT6TSHR
SCHEMBL6427944 0.80 MEN1 (0.61) SLC6A2SLC6A4CARM1PRMT6TSHR
SCHEMBL3540368 0.78 SLC6A2 (0.63) HRH3SLC6A2SLC6A4CARM1PRMT6
SCHEMBL13673491 0.78 SLC6A2 (0.56) SLC6A2SLC6A4CARM1PRMT6TSHR
SCHEMBL15801112 0.77 MAPT (0.61) SLC6A2SLC6A4
SCHEMBL5889215 0.77 ALDH1A1 (0.58) SLC6A2SLC6A4TSHRNPC1RAB9A
SCHEMBL2776292 0.77 SLC6A2 (0.55) SLC6A2SLC6A4TSHRCCR3
SCHEMBL2952169 0.77 MEN1 (0.65) SLC6A2SLC6A4
SCHEMBL29046166 0.76 CARM1 (0.47) SLC6A2SLC6A4CARM1PRMT6SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 — — EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 — — WO disclosed
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