SCHEMBL7867641

SCHEMBL7867641

c1ccc(CNC2(NCc3ccccc3)[C@@H]3CNC[C@@H]32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.49
JAK3 P52333 1/20 0.39
HPGD P15428 4/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX12 P18054 2/20 0.38
EPHX1 P07099 1/20 0.38
IDO1 P14902 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GBA1 P04062 1/20 0.38
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
MAN1B1 Q9UKM7 1/20 0.37
P2RX7 Q99572 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8186106 0.71 GRIN2B (0.56) MC4RMEN1KMT2A
SCHEMBL8118166 0.71 MC4R (0.36) MC4RJAK3HPGDALDH1A1MAN1B1
SCHEMBL15928065 0.68 IDO1 (0.39) MC4RIDO1MEN1KMT2ATHRB
SCHEMBL6450191 0.68 MAN1B1 (0.57) MC4RHPGDALDH1A1ALOX12IDO1
SCHEMBL4924718 0.68 HRH2 (0.53) MC4RHPGDALDH1A1ALOX12MEN1
SCHEMBL8766756 0.68 MAOA (0.48) MC4RGBA1
SCHEMBL382152 0.68 ALDH1A1 (0.40) MC4RHPGDALDH1A1IDO1MEN1
SCHEMBL20787990 0.67 TACR1 (0.45) MC4RALDH1A1IDO1MEN1KMT2A
SCHEMBL6204156 0.66 FUCA1 (0.51) MC4RALDH1A1MEN1KMT2AMAPT
SCHEMBL10039743 0.66 GRIN2B (0.50) MC4RMEN1KMT2A

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-6310216-B1 Special 3-azabicyclo[3.1.0]hexanes, method for producing and modifying the same, and their use BAYER AKTIENGESELLSCHAFT (DE) 2001-10-30 US disclosed