SCHEMBL13996732

SCHEMBL13996732

Clc1c(Br)cnc2c1CCN2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.55
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ NOTUM Q6P988 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL16196568 0.89 NNMT (0.45) NNMTHTR2AHTR2CHTR2B
SCHEMBL12605346 0.78 NNMT (0.55) NNMTNOTUMPARP10PARP11GRM5
SCHEMBL7213850 0.78 NNMT (0.55) NNMTPARP10PARP11GRM5
SCHEMBL13991574 0.75 PARP10 (0.42) NNMTHTR2AHTR2CHTR2BNOTUM
SCHEMBL13343936 0.71 NNMT (0.73) NNMTNOTUM
SCHEMBL13359524 0.70 CHRNB2 (0.36) NNMTHTR2AHTR2CHTR2BNOTUM
SCHEMBL21921376 0.70 NNMT (0.41) NNMT
SCHEMBL16195616 0.68 NNMT (0.45) NNMT
SCHEMBL3803152 0.67 NNMT (0.44) NNMTHTR2AHTR2CHTR2BNOTUM
SCHEMBL29487134 0.67 NNMT (0.44) NNMTHTR2AHTR2CHTR2BNOTUM

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-7465726-B2 Substituted pyrrolo[2.3-B]pyridines OSI PHARMACEUTICALS, INC. (US) 2008-12-16 — — US disclosed
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