SCHEMBL16814971

SCHEMBL16814971

COc1cccc(N2CCCCCC2C)c1CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ S1PR1 P21453 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HTR2C P28335 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ BRD4 O60885 2/20 0.38
▸ BRPF1 P55201 2/20 0.38
▸ NR1I2 O75469 2/20 0.37
▸ SMARCA2 P51531 2/20 0.37
▸ SMARCA4 P51532 2/20 0.37
▸ NR1H3 Q13133 2/20 0.37

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
SCHEMBL16792864 0.99 MAPT (0.43) MAPTLMNAHIF1AKMT2AS1PR1
SCHEMBL26288600 0.81 KMT2A (0.51) MAPTLMNAHIF1AKMT2AS1PR1
SCHEMBL16814969 0.81 GAA (0.47) MAPTLMNAKMT2ASMN1; SMN2GFER
SCHEMBL26288710 0.81 KMT2A (0.51) MAPTLMNAHIF1AKMT2AS1PR1
SCHEMBL16814984 0.75 TPH1 (0.48) MAPTLMNAKMT2ASMN1; SMN2GFER
SCHEMBL4629735 0.74 NCF1 (0.47) LMNACHRM4HRH3SMN1; SMN2GFER
SCHEMBL16814933 0.73 MAPK1 (0.42) MAPTLMNASMN1; SMN2
SCHEMBL16792819 0.73 SMN1; SMN2 (0.42) MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL16792966 0.72 TPH1 (0.47) KMT2AHTR2CHTR2B
SCHEMBL16814976 0.71 TPH1 (0.48) MAPTKMT2A

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
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 — — WO disclosed
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