SCHEMBL9248078

SCHEMBL9248078

NC(=O)C(CCN1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
KCNA3 P22001 1/20 0.56
OPRM1 P35372 2/20 0.53
OPRD1 P41143 1/20 0.53
HTR1A P08908 1/20 0.52
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CCR3 P51677 1/20 0.50
CCR2 P41597 1/20 0.48
MC4R P32245 1/20 0.47

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
SCHEMBL219257 0.84 CHRM2 (0.60) KMT2AKCNA3OPRM1OPRD1HTR1A
Fenpipramide SCHEMBL149504 0.84 CHRM2 (0.60) KMT2AKCNA3OPRM1OPRD1HTR1A
Fenpipramide SCHEMBL7558279 0.83 CHRM2 (0.59) KMT2AKCNA3OPRM1OPRD1HTR1A
Fenpipramide SCHEMBL11716116 0.81 OPRM1 (0.56) KMT2AKCNA3OPRM1OPRD1HTR1A
SCHEMBL8878260 0.78 CHRM3 (0.56) CCR3
SCHEMBL2310814 0.75 OPRM1 (0.85) KMT2AOPRM1OPRD1HTR1ALMNA
SCHEMBL7646019 0.74 ALDH1A1 (0.60) KMT2AALDH1A1LMNASMN1; SMN2SIGMAR1
SCHEMBL5201072 0.74 SIGMAR1 (0.56) KMT2AOPRM1ALDH1A1LMNASMN1; SMN2
SCHEMBL27935103 0.73 CHRM3 (0.50) KMT2AOPRM1OPRD1LMNA
SCHEMBL8176858 0.73 MC4R (0.61) KMT2AKCNA3HTR1AHTR7ALDH1A1

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
JP-7291945-A None JP disclosed
JP-H07291945-A NOVEL CYCLIC DIAMINE DERIVATIVE AND PRODUCTION THEREOF KYORIN PHARMACEUT CO LTD 1995-11-07 JP disclosed