SCHEMBL8971077

SCHEMBL8971077

NCC1(c2ccccc2)CCN(CCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.58
MAOB P27338 1/20 0.58
TAAR1 Q96RJ0 1/20 0.58
DPP4 P27487 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TACR1 P25103 1/20 0.53
SIGMAR1 Q99720 7/20 0.53
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49

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
SCHEMBL2470240 0.84 MAOA (0.61) MAOAMAOBTAAR1DPP4SIGMAR1
SCHEMBL11742308 0.83 SLC6A3 (0.61) SLC6A3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3326417 0.83 MAOA (0.59) MAOAMAOBTAAR1DPP4SLC6A3
Hydrochloric Acid SCHEMBL11738853 0.82 SLC6A3 (0.59) SLC6A3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL27572397 0.81 SLC6A3 (0.58) SLC6A3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL10513153 0.79 SLC6A3 (0.56) SLC6A3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL8970787 0.79 SLC6A3 (0.56) SLC6A3SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL16565878 0.79 MAOA (0.63) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL16550736 0.78 MAOA (0.46) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL468959 0.78 MAOA (0.68) MAOAMAOBTAAR1DPP4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480892-A SIGMA RECEPTOR ANTAGONISTS; TREATMENT OF PHYSIOLOGICAL OR DRUG INDUCED PSYCHOSIS AND DYSKINESIA THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-02 US disclosed
US-5356906-A (N-phthalimidoalkyl) piperidines useful as treatments for psychosis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-18 US disclosed
WO-1993022310-A1 (N-PHTHALIMIDOALKYL)PIPERIDINES FOR THE TREATMENT OF PSYCHOSES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-11-11 WO disclosed
EP-0497843-A4 (N-PHTHALIMIDOALKYL) PIPERIDINES 1992-09-23 EP disclosed
EP-0497843-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1992-08-12 EP disclosed
WO-1991006297-A1 (N-PHTHALIMIDOALKYL) PIPERIDINES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1991-05-16 WO disclosed