SCHEMBL9965246

SCHEMBL9965246

OC(c1ccccc1)(C1C=CC=CC1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.53
▸ CYP2D6 P10635 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HRH1 P35367 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ SCN1A P35498 1/20 0.53
▸ SCN2A Q99250 1/20 0.53
▸ SCN3A Q9NY46 1/20 0.53
▸ CHRM2 P08172 6/20 0.33
▸ CHRM1 P11229 6/20 0.33
▸ CHRM3 P20309 5/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SLC18A3 Q16572 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7319884 0.74 CYP2D6 (0.64) MEN1CYP2D6KMT2AHRH1LMNA
Hydrochloric Acid SCHEMBL7321768 0.73 CYP2D6 (0.62) MEN1CYP2D6KMT2AHRH1LMNA
SCHEMBL17689821 0.70 CHRM2 (0.37) MEN1CYP2D6KMT2AHRH1LMNA
Azacyclonol SCHEMBL241817 0.70 HRH1 (1.00) MEN1CYP2D6KMT2AHRH1LMNA
SCHEMBL360482 0.69 CHRM2 (0.40) CYP2D6HRH1CHRM2CHRM1CHRM3
SCHEMBL14018065 0.69 KEAP1 (0.50) HRH1CHRM2CHRM1CHRM3CYP1A2
Azacyclonol SCHEMBL1890138 0.69 HRH1 (0.96) MEN1CYP2D6KMT2AHRH1LMNA
Azacyclonol SCHEMBL6135637 0.69 HRH1 (0.96) MEN1CYP2D6KMT2AHRH1LMNA
SCHEMBL3951181 0.69 CYP2D6 (0.70) MEN1CYP2D6KMT2AHRH1LMNA
SCHEMBL13145313 0.69 CHRM2 (0.35) CYP2D6HRH1LMNASCN1ASCN2A

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
EP-1667971-B1 FEXOFENADINE POLYMORPHS AND PROCESSES OF PREPARING THE SAME CIPLA LTD (IN) 2012-06-20 — — EP disclosed
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