SCHEMBL7377495

SCHEMBL7377495

O=c1cc(C(F)(F)F)oc2cc(OCCCCl)ccc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.65
ALDH1A1 P00352 2/20 0.52
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
ABCG2 Q9UNQ0 2/20 0.43
PRKDC P78527 1/20 0.43
ALDH2 P05091 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
AR P10275 1/20 0.43
AGER Q15109 2/20 0.43

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
SCHEMBL7366672 0.80 SIGMAR1 (0.49) ALDH1A1MAOAMAOBSIGMAR1PRKDC
SCHEMBL28445651 0.78 AR (0.68) EPHX2MAOAMAOBPRKDCAR
SCHEMBL29724609 0.78 AR (0.68) EPHX2MAOAMAOBPRKDCAR
SCHEMBL7904928 0.77 LOXL2 (0.48) MAOAMAOBSIGMAR1ABCG2PRKDC
SCHEMBL7372368 0.76 SIGMAR1 (0.72) SIGMAR1ABCG2
SCHEMBL8783854 0.76 SLC2A1 (0.44) ALDH1A1MAOAMAOBSIGMAR1ABCG2
SCHEMBL7373528 0.75 KDM4E (0.62) MAOAMAOBSIGMAR1KDM4E
SCHEMBL4039692 0.74 MAOB (0.73) ALDH1A1MAOBKDM4EMAPTHPGD
SCHEMBL9388140 0.74 MAOB (0.68) MAOAMAOBSIGMAR1ABCG2ALDH2
SCHEMBL10459171 0.72 SLC2A1 (0.71) ALDH1A1MAOAMAOBALDH2KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699197-B1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INT (ES) 2000-06-07 EP disclosed
US-5643927-A METHOD OF PREPARATION BY DEHYDROCHLORINATION BETWEEN 4-(P-FLUOROBENZOYLPIPERIDINE WITH CHLOROALKYLCHROMEN-4-ONE FERRER INTERNACIONAL, S.A. (ES) 1997-07-01 US disclosed
EP-0699197-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1996-03-06 EP disclosed
WO-1995025733-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1995-09-28 WO disclosed