SCHEMBL24135396

SCHEMBL24135396

C=C(CCC)CNCc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 1/20 0.44
▸ KMT2A Q03164 6/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ DNM1 Q05193 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL15832162 0.83 SMN1; SMN2 (0.42) KMT2ASMN1; SMN2MEN1NPC1LMNA
SCHEMBL13853400 0.73 CHRM2 (0.57) CHRM2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL2141172 0.72 HDAC3 (0.32) CYP2C9CYP2C19HDAC3HDAC1HDAC2
SCHEMBL842161 0.72 CHRM2 (0.67) CHRM2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL10048212 0.71 SMN1; SMN2 (0.47) KMT2ASMN1; SMN2MEN1NPC1LMNA
SCHEMBL17335992 0.71 CYP3A4 (0.63) KMT2ASMN1; SMN2MEN1NPC1LMNA
SCHEMBL6397368 0.71 CHRM2 (0.67) CHRM2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL15832140 0.71 POLB (0.42) KMT2ASMN1; SMN2MEN1LMNACYP3A4
SCHEMBL631818 0.71 CHRM2 (0.59) CHRM2KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL5939339 0.71 FFAR1 (0.56) CHRM2KMT2ASMN1; SMN2MEN1NPC1

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-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 — — EP disclosed
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