SCHEMBL6046297

SCHEMBL6046297

CCC1CN(c2ccccc2)CCN1c1nccnc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SGPL1 O95470 1/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 5/20 0.38
▸ CHRNA7 P36544 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ DRD2 P14416 3/20 0.37
▸ DRD3 P35462 2/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RECQL P46063 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ DPP4 P27487 2/20 0.34

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
SCHEMBL4309974 0.81 GSK3B (0.49) LMNASIGMAR1ALDH1A1
SCHEMBL6200965 0.72 HTR2C (0.41) —
SCHEMBL26898948 0.70 ESR1 (0.53) ESR1ESR2DRD2DRD3KMT2A
SCHEMBL28735559 0.69 CHRNA7 (0.51) ESR1ESR2MAPTCHRNA7DRD2
SCHEMBL4326659 0.68 CYP2D6 (0.48) MAPTLMNASIGMAR1ALDH1A1
SCHEMBL2962626 0.68 DRD2 (0.47) ESR1ESR2MAPTCHRNA7DRD2
SCHEMBL1143326 0.66 ALOX5 (0.41) ESR1ESR2MAPTCHRNA7DRD2
SCHEMBL237422 0.65 TRPV1 (0.37) SGPL1
SCHEMBL6179912 0.65 TRPV1 (0.37) SGPL1
SCHEMBL23275890 0.64 MAPT (0.43) MAPTCHRNA7DRD2DRD3DRD4

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-7071180-B2 Certain arylaliphatic and heteroaryl-aliphatic piperazinyl pyrazines and their use in the treatment of serotonin-related diseases BIOVITRUM AB (SE) 2006-07-04 — — US disclosed
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