SCHEMBL6163841

SCHEMBL6163841

CC(C)(N)C(=O)NC(Cc1ccccc1)C(=O)N1CCC(n2c(-c3ccccc3)nc3ccccc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 7/20 0.47
CYP3A4 P08684 1/20 0.47
BRD4 O60885 1/20 0.47
LMNA P02545 1/20 0.46
FPR2 P25090 1/20 0.45
CCR5 P51681 3/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OGFRL1 Q5TC84 1/20 0.43
OPRL1 P41146 1/20 0.42
RAMP1 O60894 1/20 0.42
KMT2A Q03164 1/20 0.42
CALCA P06881 1/20 0.42
P2RY12 Q9H244 1/20 0.41

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
SCHEMBL6163831 1.00 CALCRL (0.47) CALCRLCYP3A4BRD4LMNAFPR2
Hydrochloric Acid SCHEMBL6163658 0.99 CALCRL (0.47) CALCRLCYP3A4BRD4LMNAFPR2
Hydrochloric Acid SCHEMBL6163666 0.99 CALCRL (0.47) CALCRLCYP3A4BRD4LMNAFPR2
Hydrochloric Acid SCHEMBL6163290 0.89 BRD4 (0.44) CALCRLCYP3A4BRD4LMNAFPR2
Hydrochloric Acid SCHEMBL6163287 0.89 BRD4 (0.44) CALCRLCYP3A4BRD4LMNAFPR2
SCHEMBL6165473 0.86 KMT2A (0.49) CALCRLCYP3A4BRD4FPR2OPRM1
SCHEMBL6165477 0.86 KMT2A (0.49) CALCRLCYP3A4BRD4FPR2OPRM1
SCHEMBL6163764 0.86 CALCRL (0.54) CALCRLFPR2OPRM1KMT2AP2RY12
SCHEMBL6163760 0.86 CALCRL (0.54) CALCRLFPR2OPRM1KMT2AP2RY12
Hydrochloric Acid SCHEMBL6163192 0.85 CALCRL (0.54) CALCRLFPR2OPRM1KMT2AP2RY12

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
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP claimed