SCHEMBL5695533

SCHEMBL5695533

CN1CCN(CCC2CCC2(O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ DRD2 P14416 4/20 0.41
▸ POLB P06746 1/20 0.41
▸ OPRL1 P41146 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CCR3 P51677 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD5 P21918 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR7 P34969 1/20 0.39

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
SCHEMBL3444664 0.79 OPRM1 (0.53) SLC6A2ALDH1A1LMNAMAPTKMT2A
SCHEMBL6041735 0.73 KMT2A (0.57) ALDH1A1LMNAMAPTKMT2AOPRM1
SCHEMBL5695532 0.71 ALDH1A1 (0.43) SLC6A2ALDH1A1LMNAMAPTKMT2A
SCHEMBL3993473 0.69 OPRM1 (0.53) MAPTKMT2AOPRM1OPRL1TP53
SCHEMBL3821321 0.68 OPRM1 (0.56) ALDH1A1MAPTKMT2AOPRM1OPRL1
SCHEMBL3446137 0.68 KMT2A (0.41) SLC6A2KMT2AOPRM1OPRL1SLC6A4
SCHEMBL3444822 0.67 SLC6A4 (0.44) SLC6A2KMT2AOPRM1OPRL1SLC6A4
SCHEMBL3591425 0.67 CCR3 (0.57) KMT2AOPRM1DRD2OPRL1CCR3
SCHEMBL3444024 0.67 SLC6A2 (0.46) SLC6A2LMNAKMT2AOPRM1OPRL1
SCHEMBL3443526 0.67 KMT2A (0.40) SLC6A2KMT2AOPRM1OPRL1SLC6A4

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
EP-1673358-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 — — EP disclosed
WO-2005037808-A1 PHENYLPIPERAZINE CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 — — WO disclosed
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