SCHEMBL9216002

SCHEMBL9216002

NCCN1CCN(C(c2ccccc2)c2cccnc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.54
OPRM1 P35372 1/20 0.54
OPRK1 P41145 1/20 0.54
OPRL1 P41146 1/20 0.54
LMNA P02545 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
MC4R P32245 1/20 0.54
HTT P42858 1/20 0.54
CCR6 P51684 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
P2RX7 Q99572 7/20 0.53
CYP3A4 P08684 1/20 0.50
CYP3A5 P20815 1/20 0.50

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
SCHEMBL27528137 1.00 OPRD1 (0.54) OPRD1OPRM1OPRK1OPRL1LMNA
SCHEMBL9213520 0.87 P2RX7 (0.53) OPRD1OPRM1LMNAALDH1A1MAPT
SCHEMBL27525082 0.87 P2RX7 (0.53) OPRD1OPRM1LMNAALDH1A1MAPT
SCHEMBL4249388 0.87 LMNA (0.60) OPRD1OPRM1OPRK1LMNAALDH1A1
SCHEMBL12120530 0.82 MC4R (0.46) OPRD1LMNAALDH1A1TP53HSP90AA1
SCHEMBL9251119 0.80 DRD2 (0.68) OPRD1OPRM1OPRK1OPRL1LMNA
SCHEMBL9852935 0.79
SCHEMBL4246056 0.79 DRD3 (0.66) OPRM1OPRK1LMNAALDH1A1TDP1
SCHEMBL27341601 0.79 ACHE (0.66) OPRD1OPRM1OPRK1LMNAALDH1A1
SCHEMBL27363283 0.78 OPRD1 (0.54) OPRD1OPRM1OPRK1OPRL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0492178-B1 Naphthoic acid derivative FUJIREBIO KK (JP) 1995-10-04 EP disclosed
US-5324728-A Lipoxygenase inhibiting antiallergens FUJIREBIO INC. (JP) 1994-06-28 US disclosed
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed