SCHEMBL11375171

SCHEMBL11375171

O=C(c1ccccc1)N1CCN/C1=N\c1ccc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ NOS1 P29475 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ AVPR1A P37288 3/20 0.38
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GPR6 P46095 1/20 0.38
▸ CRHBP P24387 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL11375172 1.00 POLB (0.40) POLBNOS1EPHX2AVPR1AGPBAR1
SCHEMBL10831824 0.93 GPR6 (0.43) POLBAVPR1AALDH1A1LMNAGPR6
SCHEMBL11371833 0.92 KCNN4 (0.42) ALDH1A1LMNAACHE
SCHEMBL11371555 0.88 GPR183 (0.39) POLBALDH1A1LMNAGPR6CRHBP
SCHEMBL11363360 0.87 HPGD (0.43) GPBAR1GPR6CRHBPCRHR2
SCHEMBL11371257 0.87 RXFP1 (0.44) AVPR1AGPBAR1ALDH1A1LMNACRHBP
SCHEMBL11363350 0.87 HPGD (0.43) GPBAR1GPR6CRHBPCRHR2
SCHEMBL10832211 0.86 SCN5A (0.39) EPHX2ALDH1A1LMNAGPR6CRHBP
SCHEMBL10831627 0.85 MAPT (0.44) POLBLMNAGPR6ACHE
SCHEMBL10832649 0.85 MGLL (0.43) POLBALDH1A1LMNA

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
US-4262005-A CONTROLLING ECTOPARASITES WHICH ATTACK CATTLE AND PIGS THE BOOTS COMPANY LIMITED (GB) 1981-04-14 — — US disclosed
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