SCHEMBL30833232

SCHEMBL30833232

NC(=O)c1ccc2ccn(C3C[C@H]4CC[C@@H](C3)N4c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
FGFR1 P11362 1/20 0.40
OPRK1 P41145 10/20 0.38
KCNH2 Q12809 9/20 0.38
OPRM1 P35372 7/20 0.38
OPRD1 P41143 4/20 0.38
SCD O00767 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
SLC6A4 P31645 1/20 0.36
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
PLAU P00749 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
SCHEMBL30344212 0.84 HTR1A (0.46) ROCK2PIM1PIM3OPRK1OPRM1
SCHEMBL30833216 0.83 KCNH2 (0.58) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833224 0.77 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833198 0.76 OPRK1 (0.47) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833220 0.76 OPRM1 (0.58) OPRK1KCNH2OPRM1OPRD1
SCHEMBL3962847 0.75 JAK2 (0.44) ROCK2PIM1PIM3SCDHTR1A
SCHEMBL30833209 0.75 OPRK1 (0.56) OPRK1KCNH2OPRM1OPRD1
SCHEMBL30833213 0.75 OPRK1 (0.48) OPRK1KCNH2OPRM1OPRD1HTR1A
SCHEMBL30833238 0.74 OPRK1 (0.59) OPRK1KCNH2OPRM1OPRD1
SCHEMBL29820574 0.74 HTR1A (0.41) ROCK2PIM1PIM3FGFR1SCD

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
CN-117729914-A Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2024-03-19 CN disclosed