SCHEMBL27494378

SCHEMBL27494378

O=C(Cc1ccc(Cl)cc1)NC1CCCCC1N1CCCC1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.75
▸ POLB P06746 1/20 0.59
▸ LMNA P02545 1/20 0.56
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ GRM7 Q14831 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CHRNA7 P36544 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ KCNQ2 O43526 1/20 0.47

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
SCHEMBL6304036 0.86 SIGMAR1 (0.58) SIGMAR1POLBLMNAOPRK1GRM7
SCHEMBL6304033 0.86 SIGMAR1 (0.58) SIGMAR1POLBLMNAOPRK1GRM7
SCHEMBL9516955 0.86 SIGMAR1 (0.67) SIGMAR1OPRM1OPRK1CHRNA7
SCHEMBL10340117 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1SMN1; SMN2
SCHEMBL7344793 0.86 SIGMAR1 (1.00) SIGMAR1OPRM1OPRK1SMN1; SMN2
SCHEMBL10340111 0.83 SIGMAR1 (0.95) SIGMAR1OPRM1OPRK1
SCHEMBL10340110 0.83 SIGMAR1 (0.95) SIGMAR1OPRM1OPRK1
SCHEMBL6307072 0.81 SIGMAR1 (0.53) SIGMAR1POLBLMNAGRM7SMN1; SMN2
SCHEMBL6303612 0.81 SIGMAR1 (0.53) SIGMAR1POLBLMNA
SCHEMBL6303615 0.81 SIGMAR1 (0.53) SIGMAR1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101432011-A Method for regulating neurotransmitter systems by inducing counteradaptation ALEXANDER MICHALOW (US) 2009-05-13 — — CN disclosed
CN-101065014-A Method for regulating neurotransmitter systems by inducing counteradaptation ALEXANDER MICHALOW (US) 2007-10-31 — — CN disclosed
CN-1204264-A Production of analgesic synergy by co-administration of sub-analgesic doses of a mu opioid agonist and kappa-2 opioid agonist UNIV QUEENSLAND (AU) 1999-01-06 — — CN disclosed
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