SCHEMBL9083273

SCHEMBL9083273

CCCCCN(CCCCC)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 9/20 0.51
MC4R P32245 1/20 0.47
MTNR1A P48039 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9086070 0.84 KMT2A (0.56) CCKBRMC4R
SCHEMBL6892600 0.79 KMT2A (0.55) CCKBR
SCHEMBL9832751 0.75 CCKBR (0.47) CCKBR
SCHEMBL9832740 0.75 CCKBR (0.47) CCKBR
SCHEMBL8892465 0.75 KDM4E (0.49) CCKBRNPC1SMN1; SMN2
SCHEMBL8892454 0.75 KDM4E (0.49) CCKBRNPC1SMN1; SMN2
SCHEMBL22835926 0.75 NMBR (0.53) CCKBRSMN1; SMN2
SCHEMBL10625743 0.74 CCKBR (0.68) CCKBR
SCHEMBL8829876 0.74 CCKBR (0.68) CCKBRNPC1
Hexane SCHEMBL27913412 0.73 SMN1; SMN2 (0.51) MTNR1ANPC1SMN1; SMN2

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-5523306-A TRYPTOPHAN DERIVATIVES FOR BLOCKING DRUG OR ALCOHOL WITHDRAWAL RESPONSE IN MAMMALS; ANTIPSYCHOTIC, ANTIULCER AGENTS; APPETITE SUPPRESSANTS WARNER-LAMBERT COMPANY (US) 1996-06-04 US disclosed
US-5397788-A Antitumor agents, antiulcer agents, antipsychotics or anxiety WARNER-LAMBERT COMPANY (US) 1995-03-14 US disclosed
EP-0546123-A4 1994-04-27 EP disclosed
US-5244915-A Anxiolytic agents, tryptophan dipeptide derivatives WARNER-LAMBERT COMPANY (US) 1993-09-14 US disclosed
EP-0546123-A1 ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES WARNER-LAMBERT COMPANY (US) 1993-06-16 EP disclosed
WO-1992004322-A1 ALPHA-SUBSTITUTED TRYPTOPHANE DIPEPTOID DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed