SCHEMBL11248950

SCHEMBL11248950

CO[C@H]1CC(CNC(=O)c2ccc(Br)cc2)C(N2CCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CHRNA7 P36544 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHIT1 Q13231 1/20 0.37
POLB P06746 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KMT2A Q03164 2/20 0.37
USP2 O75604 1/20 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
SCHEMBL11248932 1.00 TAAR1 (0.39) TAAR1ALDH1A1HPGDLMNAOPRM1
SCHEMBL2356975 0.76 CTSL (0.49) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL11248964 0.70 CHRNA7 (0.39) ALDH1A1HPGDCHRNA7KMT2AMEN1
SCHEMBL26956104 0.69 MMP2 (0.55) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL11245028 0.67 SIGMAR1 (0.52) L3MBTL3L3MBTL1SIGMAR1
SCHEMBL30914533 0.65 CTSL (0.52) HPGDLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5630219 0.65 HDAC3 (0.62) TAAR1ALDH1A1HPGDLMNAHDAC3
SCHEMBL9980163 0.64 CTSL (0.50) TAAR1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL2493968 0.63 ALDH1A1 (0.71) ALDH1A1HPGDHDAC2L3MBTL1POLB
SCHEMBL10833672 0.63 MMP2 (0.42) HPGDLMNASMN1; SMN2NPC1RAB9A

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-4360531-A Substituted cycloalkanes THE UPJOHN COMPANY (US) 1982-11-23 US disclosed