SCHEMBL30187684

SCHEMBL30187684

CCc1cnc2c(-c3cc4ccccc4o3)cc(C)cc2n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 5/20 0.63
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TOP2A P11388 1/20 0.38
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
STAT1 P42224 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE4D Q08499 1/20 0.37
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
METAP2 P50579 1/20 0.36
ADRA2A P08913 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35

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
SCHEMBL19783470 1.00 F2RL3 (0.63) F2RL3MAOAMAOBTOP2AMAPT
SCHEMBL19783284 0.89 F2RL3 (0.62) F2RL3MAOAMAOBTOP2ANPC1
SCHEMBL30189642 0.89 F2RL3 (0.62) F2RL3MAOAMAOBTOP2ANPC1
SCHEMBL19783398 0.88 F2RL3 (0.64) F2RL3MAOAMAOBTOP2ANPC1
SCHEMBL30187605 0.88 F2RL3 (0.64) F2RL3MAOAMAOBTOP2ANPC1
SCHEMBL19783803 0.84 F2RL3 (0.73) F2RL3MAOAMAOBTOP2AMAPT
SCHEMBL30187691 0.84 F2RL3 (0.73) F2RL3MAOAMAOBTOP2AMAPT
SCHEMBL19783498 0.81 F2RL3 (0.76) F2RL3MAOAMAOBNPC1RAB9A
SCHEMBL30187592 0.81 F2RL3 (0.76) F2RL3MAOAMAOBNPC1RAB9A
SCHEMBL30187685 0.80 F2RL3 (0.62) F2RL3MAOAMAOBTOP2AMAPT

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN claimed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed