SCHEMBL27896432

SCHEMBL27896432

Cn1cc(C(=O)C(=O)N2CCCC2NC=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.49
▸ CHRM2 P08172 2/20 0.48
▸ ADRA2A P08913 2/20 0.48
▸ CHRM1 P11229 2/20 0.48
▸ ADRA2B P18089 2/20 0.48
▸ CHRM3 P20309 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR4 Q13639 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CHRM4 P08173 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ HTR1D P28221 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ ADRA1B P35368 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL27896407 0.89 HSD11B1 (0.57) RAB9AALDH1A1CHRM2ADRA2ACHRM1
SCHEMBL27879608 0.76 CYP3A4 (0.42) RAB9ACYP1A2CYP2D6CYP2C9NPC1
SCHEMBL1559389 0.70 KMT2A (0.65) RAB9AALDH1A1CHRM2ADRA2ACHRM1
SCHEMBL1558956 0.70 POLB (0.68) RAB9AALDH1A1NPC1SMN1; SMN2KMT2A
SCHEMBL7959069 0.69 RAB9A (0.53) RAB9AALDH1A1CHRM2ADRA2ACHRM1
SCHEMBL27896409 0.69 HTT (0.51) ALDH1A1CYP2C9HSD11B1KMT2A
SCHEMBL1558335 0.69 ALDH1A1 (0.60) RAB9AALDH1A1NPC1SMN1; SMN2ALOX5
SCHEMBL11224424 0.68 ALOX5 (0.49) RAB9AALDH1A1CHRM2ADRA2ACHRM1
SCHEMBL11224420 0.68 ALOX5 (0.49) RAB9AALDH1A1CHRM2ADRA2ACHRM1
SCHEMBL27896385 0.67 TSHR (0.48) ALDH1A1CYP2C9HSD11B1KMT2A

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-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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