SCHEMBL9150896

SCHEMBL9150896

CCC(Cc1ccccc1)NCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.62
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48

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
SCHEMBL19334491 0.90 SIGMAR1 (0.58) SIGMAR1ATMTAAR1
SCHEMBL8096613 0.88 SIGMAR1 (0.77) SIGMAR1MEN1KMT2A
SCHEMBL8976808 0.87 SIGMAR1 (0.65) SIGMAR1MEN1KMT2A
SCHEMBL22558398 0.82 SLC6A4 (0.62) SIGMAR1
SCHEMBL22431534 0.81 SIGMAR1 (0.70) SIGMAR1
SCHEMBL21243263 0.80 SIGMAR1 (0.53) SIGMAR1TAAR1
Hydrochloric Acid SCHEMBL6738145 0.80 SIGMAR1 (0.56) SIGMAR1MEN1KMT2AATMTAAR1
SCHEMBL9768698 0.79 SIGMAR1 (0.58) SIGMAR1ATMTAAR1
SCHEMBL8091459 0.78 HTR1A (0.54) SIGMAR1MEN1KMT2A
Hydrochloric Acid SCHEMBL9249699 0.77 SIGMAR1 (0.67) SIGMAR1MEN1KMT2A

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
EP-0284621-B1 NEW PSYCHOSTIMULANT AGENT CHINOIN GYOGYSZER ES VEGYESZET (HU) 1995-01-18 EP disclosed
EP-0284621-A1 NEW PSYCHOSTIMULANT AGENT. CHINOIN GYOGYSZER ES VEGYESZET (HU) 1988-10-05 EP disclosed
WO-1988002254-A1 NEW PSYCHOSTIMULANT AGENT Chinoin Gyógyszer és Vegyészeti Termékek Gyára Rt. (HU) 1988-04-07 WO disclosed