SCHEMBL8039622

SCHEMBL8039622

COc1ccc2ccc3c(c2c1)CCN1C(=O)CCC=C31

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.42
GRM1 Q13255 6/20 0.42
HSP90AA1 P07900 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL8025896 0.77 DRD2 (0.44) KMT2ASMN1; SMN2MEN1
SCHEMBL7851700 0.77 KDM4E (0.54) MTNR1AMTNR1BKMT2ASMN1; SMN2MEN1
SCHEMBL7504744 0.76 MTNR1A (0.40) GRM5GRM1HSP90AA1MTNR1AMTNR1B
SCHEMBL7504730 0.74 ALOX5 (0.43) GRM5GRM1MTNR1AMTNR1BTUBB4A
SCHEMBL7333499 0.68 NOTUM (0.49) HSP90AA1MTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL7506393 0.67 SMN1; SMN2 (0.35) HSP90AA1MTNR1AMTNR1BKMT2ASMN1; SMN2
SCHEMBL8039635 0.66 KDM4E (0.56) HSP90AA1KMT2ASMN1; SMN2MEN1CYP1A2
SCHEMBL7509408 0.65 KDM4E (0.38) GRM5TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL19382614 0.62 CYP1A2 (0.61) MTNR1AKMT2ASMN1; SMN2MEN1CYP1A2
SCHEMBL25366082 0.61 ALOX5 (0.55) CYP1A2CYP3A4CYP2D6CYP2C19

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-6048868-A CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS; ANTIDEPRESSANTS CEMAF (FR) 2000-04-11 US disclosed