SCHEMBL10831769

SCHEMBL10831769

CN(C)CCC(O)c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
UTS2R Q9UKP6 6/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL10831597 0.88 CNR1 (0.43) CNR1CCNB2CDK1CCNB1CCNB3
SCHEMBL10831618 0.79 CYP1A2 (0.43)
SCHEMBL10832930 0.77 CNR1 (0.41) CNR1HTR2A
SCHEMBL10831808 0.77 MTNR1A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10831701 0.76 HTR2A (0.70) HTR2AHTR2CHTR6
SCHEMBL10832824 0.75 MAPT (0.45) CNR1HTR2AHTR2C
SCHEMBL10832508 0.75 MTNR1A (0.43)
SCHEMBL10831602 0.74 MAPT (0.44) CNR1HTR2AHTR2C
SCHEMBL10832733 0.74 HTR6 (0.68) HTR2AHTR2CHTR6
SCHEMBL10831683 0.73 MAPT (0.47)

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
US-4582848-A 2-substituted-3-indolamines and use thereof as anti-diabetics SANDOZ, INC. (US) 1986-04-15 US disclosed
US-4544663-A ASPERMATOGENESIS INDUCERS SANDOZ, INC. (US) 1985-10-01 US disclosed