SCHEMBL7330210

SCHEMBL7330210

O=C(NCCc1ccccn1)N1CCC(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
HTT P42858 2/20 0.46
CYP2C9 P11712 2/20 0.46
EPHX2 P34913 2/20 0.46
NAMPT P43490 2/20 0.45
CYP2C19 P33261 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL13873757 0.78 EPHX2 (0.58) OPRM1CYP2C9EPHX2MEN1KMT2A
SCHEMBL13716041 0.77 HSD11B1 (0.42) TAS1R3TAS1R1EPHX2NAMPTCYP2C19
Hydrochloric Acid SCHEMBL4480328 0.77 KMT2A (0.59) CYP2C19SLC6A3SMN1; SMN2MEN1KMT2A
SCHEMBL13873568 0.75 EPHX2 (0.57) CYP2C9EPHX2NAMPTCYP2C19HSD11B1
SCHEMBL13873546 0.74 EPHX2 (0.57) CYP2C9EPHX2NAMPTCYP2C19HSD11B1
SCHEMBL7325448 0.74 LMNA (0.54) EPHX2CYP2C19SLC6A3SMN1; SMN2MEN1
SCHEMBL13873509 0.74 ALDH1A1 (0.50) HTTEPHX2NAMPTHSD11B1SMN1; SMN2
SCHEMBL13125273 0.74 POLB (0.54) EPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL13873617 0.73 RAB9A (0.62) CYP2C9EPHX2KMT2A
SCHEMBL1313176 0.72 DRD2 (0.57) HTTCYP2C9NAMPTCYP2C19HSD11B1

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
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed